NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.4491 8.3649 120.1314 54.6261 41.3431 174.7333 9 Y 4.4566 8.5148 123.5559 56.5312 38.4876 174.3608 10 K 4.2901 8.0309 118.3505 56.9740 30.7294 175.3107 11 I 4.6452 7.6400 107.3609 60.9035 38.4177 177.7859 12 Q 4.1488 8.2342 123.2974 59.7610 28.7743 178.6296 13 S 4.1428 7.9120 111.0094 60.1795 63.3847 174.4932 14 F 4.2718 7.4105 118.6748 56.6777 39.4923 175.4296 15 D 4.6056 8.5259 121.8883 54.1708 42.5898 177.7696 16 L 3.9932 8.4445 121.5799 58.3247 41.8449 179.8178 17 E 3.9876 8.1458 117.8207 59.7787 29.4421 179.4279 18 T 3.9517 7.8616 115.2603 66.3248 68.6523 176.8008 19 Q 3.8082 8.4109 120.6439 58.6744 28.7122 178.7998 20 K 3.8584 7.9922 120.5676 59.3439 32.2048 178.3650 21 L 3.8726 7.6276 120.1683 58.3535 42.0165 179.0566 22 L 3.7839 7.7746 118.6034 57.7048 41.6442 179.7206 23 K 3.9162 8.0312 118.4263 59.4540 31.8658 179.6219 24 T 3.8632 7.9916 115.8682 66.6270 68.2070 176.2780 25 A 3.8367 7.7551 121.2636 55.3230 18.3440 179.3024 26 L 3.8380 7.3737 115.9855 57.7168 41.7342 179.4303 27 K 4.2825 7.3291 115.5677 57.5489 34.0337 177.0546 28 D 4.7183 8.5651 118.7206 51.3912 41.1470 173.6349 29 P 4.2550 0.0000 0.0000 64.8594 31.9660 179.8112 30 G 3.6366 8.3871 107.7873 47.5643 0.0000 174.2403 31 S 4.6505 7.7901 112.9155 57.8314 63.2253 173.9348 32 V 4.3878 7.2034 113.1782 59.1900 34.9567 176.0624 33 D 4.5608 8.3293 120.5045 53.7738 40.8303 176.6446 34 L 4.1644 8.3694 128.1846 57.3861 41.7855 178.8308 35 E 3.9554 8.2872 119.2274 58.9342 29.5718 178.5480 36 K 3.8887 8.3016 119.6589 59.4972 32.3295 178.6133 37 V 3.6465 7.9164 118.7780 66.2936 31.4021 177.9713 38 S 4.1927 8.4133 113.7229 61.5524 62.5550 176.3526 39 S 4.0839 8.0922 116.6346 61.2979 62.2018 176.6033 40 V 3.7348 8.2111 115.4012 64.3832 31.2507 178.6461 41 I 4.1859 8.0012 119.5850 64.6645 36.5778 178.7062 42 V 3.1082 7.8525 120.2682 65.2505 31.1070 177.4023 43 D 4.4014 7.9895 117.8122 57.8624 41.0820 178.7199 44 Q 3.9456 8.2200 119.7511 58.7384 29.0513 177.9101 45 S 4.2765 8.3792 115.5395 61.4367 62.2913 176.3518 46 L 4.2065 7.6648 120.7662 56.4478 41.2347 178.4881 47 K 4.4580 7.8139 116.8513 55.5567 32.9400 175.9299 48 D 4.7197 7.3945 118.4948 51.4452 43.8310 175.1257 49 Q 3.9602 9.1030 127.6639 59.4585 29.3583 178.2239 50 V 3.7559 7.7555 118.4832 66.1224 31.8248 177.5672 51 F 4.3698 9.2628 120.9606 61.2925 38.8743 177.1628 52 S 4.2082 8.6772 114.1463 60.6927 62.5774 175.7104 53 R 4.4185 7.5892 119.0427 56.3636 30.7345 176.3649 54 E 4.5144 7.4577 115.5375 54.7542 32.0599 177.0342 55 A 3.8266 7.6504 121.5427 54.3393 18.0675 179.8145 56 G 3.2738 8.8644 105.5119 47.6374 0.0000 175.8065 57 R 3.7884 6.8688 119.6687 59.5188 30.2091 178.9629 58 I 3.6036 7.7531 117.4761 63.9283 38.0905 177.5519 59 C 4.3321 8.2214 117.8151 62.9748 28.0119 175.1340 60 Y 4.2713 8.4002 121.3963 61.3502 38.2919 178.4830 61 T 3.6897 7.7878 116.2422 66.5653 68.5103 176.7822 62 I 3.3750 7.5444 121.5307 64.1746 37.0780 178.2522 63 V 3.6211 7.5366 119.1433 66.5271 31.1718 178.1702 64 Q 3.8127 7.9408 117.0785 58.7774 28.4453 178.3175 65 A 3.8819 8.0952 122.2147 55.2530 18.2621 179.3799 66 E 3.8089 8.6056 117.8639 59.1834 29.6055 178.7730 67 A 3.9499 8.0346 120.9012 54.9656 18.2072 179.6017 68 K 3.8328 7.9558 117.1259 59.6248 32.4158 178.6730 69 Q 4.1429 8.0753 118.8178 58.7325 28.5916 176.6330 70 T 4.4995 7.7854 106.4084 60.2130 69.8508 173.6377 71 N 4.1703 8.0549 117.8074 54.4842 36.7167 174.0723 72 G 4.2834 7.3184 102.4699 44.0638 0.0000 173.7892 73 S 4.7605 8.0949 111.3846 56.9565 64.0478 176.6960 74 V 3.5664 8.5518 121.8940 67.1561 31.2442 176.5673 75 F 4.0938 8.4737 120.1457 61.3791 39.1961 176.8450 76 R 3.7921 8.1745 117.6380 59.6145 29.8020 178.4161 77 R 3.9035 8.1424 117.7591 59.4611 30.0969 178.9104 78 N 4.2989 8.1583 116.2400 55.9207 38.4138 177.3319 79 L 3.7806 8.0113 122.1178 58.2121 42.1015 179.1601 80 L 4.0187 8.1761 119.3118 57.4362 41.5049 178.8871 81 N 4.2712 8.4173 117.4918 56.8250 38.9275 176.8323 82 R 3.9144 8.0256 119.9221 59.2973 30.1856 177.9713 83 L 4.1503 8.3699 120.5070 58.4942 41.9838 178.9960 84 Q 4.1872 8.4793 118.0389 59.1844 28.4617 178.7981 85 Q 4.0675 8.0092 117.7015 59.0963 29.1110 178.7230 86 E 4.1663 8.4601 119.4125 59.4289 29.6905 178.8386 87 F 4.3917 8.8869 121.0701 61.7984 39.1392 177.4876 88 K 3.8032 8.4357 116.5864 58.6973 32.0554 178.1627 89 A 4.4531 7.6004 119.4408 51.9882 18.5709 178.9433 90 R 3.9694 7.7067 118.7077 60.0097 29.3077 178.5794 91 E 3.5929 7.8843 119.3785 59.0660 29.7412 178.5775 92 E 3.9313 7.9967 118.0109 59.5131 29.5371 179.2802 93 T 3.8901 8.0140 115.8871 66.6692 68.3359 176.5920 94 R 3.8909 7.8959 119.5677 59.4145 30.0833 178.4290 95 K 4.0561 7.8367 117.2381 59.1438 32.0247 179.2228 96 R 4.2085 7.7628 118.3572 57.8813 30.4489 176.8737 97 S 4.4557 8.3616 115.6163 56.2279 65.1618 174.3126 98 T 4.0638 8.9246 125.6944 66.8912 68.2484 176.0588 99 Q 3.9904 8.1428 120.7963 59.4481 29.0852 178.1802 100 E 4.3131 8.2906 120.8193 58.5543 29.4590 179.2471 101 W 4.3718 8.3912 128.5597 60.7250 30.7975 178.6241 102 V 3.1492 7.8553 112.3400 64.1175 30.7895 178.3926 103 C 4.0836 8.1043 116.7732 62.6011 27.9240 175.7169 104 L 4.0203 8.0644 122.0012 58.2002 41.7027 179.2028 105 V 3.3591 7.3804 117.9487 66.0468 31.3415 178.0729 106 S 4.2059 8.0345 114.9379 61.5232 62.5833 176.5254 107 F 4.2950 8.3764 124.7936 60.8681 39.1087 177.2126 108 I 3.4251 7.9085 119.4235 64.6589 36.9638 178.3606 109 C 4.0626 8.0599 117.3892 62.4983 27.8771 175.7101 110 N 4.4078 8.1715 119.1321 56.5997 38.4320 177.1200 111 I 3.6095 7.6627 121.5350 64.0167 36.8879 177.8577 112 F 3.9440 8.0508 120.8103 61.6646 39.2312 176.5752 113 D 4.3181 8.0996 115.7743 56.8640 41.0404 176.9152 114 Y 4.1140 7.7437 115.8439 58.7116 39.9004 176.5846 115 L 4.5210 7.9342 121.1226 53.2544 40.1055 175.9462 116 K 4.5531 7.9117 120.2269 54.1270 35.6897 176.2361 117 V 4.2959 7.7873 113.2281 60.5182 34.4785 175.9360 118 N 4.1602 8.6683 124.7083 54.5192 37.2001 174.0768 119 N 4.6995 8.5406 114.9148 50.5590 39.6923 172.2485 *121 P 3.9771 0.0000 0.0000 61.9545 32.6495 179.4045 *123 V 4.1416 8.4609 128.1681 62.4624 32.7661 177.1147 124 A 4.0866 8.1245 122.0019 54.3738 18.4756 177.7558 125 L 4.4211 7.7760 114.1733 55.4145 42.9493 178.8570 126 V 3.5613 7.9447 119.1859 66.4318 31.4379 177.6453 127 H 4.3271 8.1009 115.3815 58.3485 28.8111 175.6389 128 P 3.1261 0.0000 0.0000 65.2577 31.0168 178.7226 129 V 3.4078 7.7002 116.6386 66.2602 31.4930 177.6517 130 Y 4.3050 8.1344 116.6289 61.2407 37.7175 178.3260 131 D 4.6518 8.8620 120.2238 57.8711 41.0368 178.7863 132 C 4.6439 8.3374 116.6360 63.0765 28.0537 176.2926 133 L 4.0432 8.2520 120.5292 57.8575 40.9930 179.5000 134 F 4.0177 8.8715 117.1950 60.4422 39.0384 177.4346 135 R 4.1676 8.4133 118.4440 59.5709 29.7967 178.6570 136 L 4.2650 8.1947 116.9814 56.9906 41.6700 178.2924 137 A 4.3696 7.4167 118.4207 51.4358 19.6077 177.4284 138 Q 4.2256 7.3353 117.1009 55.3399 29.7944 177.3162 139 S 4.6812 9.2197 118.5963 61.4441 62.6363 177.1407 140 D 4.3449 8.0857 119.1292 56.0949 39.3461 177.7797 141 A 4.4904 7.7898 123.0458 54.0244 18.7307 179.1917 142 L 3.9007 7.9654 116.9072 57.5982 41.7496 179.2628 143 K 4.5433 7.7188 116.8209 57.2575 33.0565 176.4080 144 N 4.8275 7.9890 119.2091 51.3106 39.8901 174.4739 145 E 3.8934 8.9741 125.1418 59.5938 29.4362 178.2982 146 E 3.9636 8.1743 118.4837 59.3929 29.5407 178.5339 147 E 4.0645 8.2288 118.3813 59.0866 29.5391 179.4759 148 V 3.6010 7.6719 118.0729 65.8237 31.7609 177.1656 149 D 4.3055 8.0876 117.8690 57.5589 40.9646 177.9096 150 C 3.9335 7.7801 118.5420 62.3510 31.6026 174.9564 151 L 3.8115 7.9124 121.9092 58.6199 41.6504 179.5690 152 V 3.5149 7.7485 111.9637 63.8807 31.3790 178.2137 153 L 3.8826 7.7354 120.1818 58.3968 41.8645 179.1183 154 Q 3.9146 7.9023 117.6856 59.0066 28.6314 178.9515 155 L 4.0385 7.8888 119.8956 58.1044 41.4474 179.2077 156 H 4.0809 8.2335 115.5547 58.8865 28.6580 177.8642 157 R 4.1807 7.8580 119.0139 58.4649 30.3045 177.6156 158 I 4.5240 8.0409 108.5515 59.2485 39.3119 176.9354 159 G 3.0113 8.0526 110.2545 48.0603 0.0000 175.7125 160 D 3.3700 6.8576 120.9372 55.6507 39.1880 178.5069 161 Q 3.9364 7.5566 118.0816 58.7136 28.8923 178.2558 162 L 3.9824 7.7390 119.2410 57.6176 41.6274 178.7816 163 E 4.2964 7.9480 118.5068 58.9696 29.8265 179.5045 164 K 4.4954 7.5045 118.7310 55.2532 32.4397 177.2626 *166 N 4.4993 8.0403 118.2901 53.3004 38.8840 173.7378 167 V 3.9611 8.3518 126.1630 64.4222 32.3506 177.6434 168 Q 4.1400 8.3380 121.3868 59.0917 29.0644 179.1354 169 L 4.3076 8.2354 115.9809 55.2947 41.1913 178.8458 *171 D 4.6722 8.2851 120.2665 54.6303 43.0492 177.9574 172 E 4.1223 8.5823 118.7000 59.2298 29.3557 179.1985 173 L 3.4149 8.4107 120.6922 58.1599 42.1133 179.1853 174 F 3.8182 8.4714 116.9746 60.0980 38.7536 177.3171 175 N 4.3884 8.3126 116.6554 56.3752 38.3368 177.2355 176 L 3.9935 7.8418 119.9610 57.7620 41.6321 179.7070 177 L 3.8547 7.7179 118.8845 57.7073 41.5384 179.6593 178 R 4.0268 8.2003 118.1238 59.4296 30.0675 178.5846 179 D 4.5211 8.3982 118.9388 57.7323 40.7271 179.5084 180 G 3.6405 8.3244 105.8465 47.3449 0.0000 175.7341 181 F 4.1729 8.0784 122.3984 61.3588 39.5602 177.0613 182 L 4.2253 8.4160 117.8815 56.9071 41.5135 177.7680 183 L 4.4894 7.7099 116.4720 55.7785 44.1641 176.6394 184 Q 4.1466 7.6662 120.8582 55.2976 29.0923 175.9777 185 E 4.0024 8.9391 127.8099 59.1494 30.1238 177.0388 186 D 4.7172 7.8007 117.2755 53.3044 39.9015 176.0439 187 L 4.4559 7.6049 119.0186 54.6779 43.3826 177.2263 188 S 4.6406 8.0962 115.9252 57.0935 64.8105 175.8485 189 S 4.3374 8.4578 113.0838 59.1806 62.1826 176.9236 *191 G 3.8157 8.2416 111.4802 45.7504 0.0000 176.2516 192 R 3.5024 8.2474 119.7631 58.5612 29.9856 178.8944 193 L 4.1529 8.1323 120.2089 58.2968 42.1964 179.0332 194 L 3.9097 7.8211 118.3551 57.7442 41.5642 179.3992 195 L 3.8251 7.7305 118.8709 57.5623 41.4986 179.2965 196 L 4.3797 8.0898 120.3570 58.2944 42.0371 178.5658 197 E 3.4416 7.9899 119.2271 59.2009 29.3536 178.7058 198 I 3.8060 7.7041 118.5350 63.8277 37.9867 177.7880 199 L 4.2558 8.2519 120.1523 58.1086 41.4941 179.4258 200 E 4.0314 8.4228 118.4230 59.0758 29.3478 179.1711 201 F 4.3738 8.4220 122.3501 60.8564 39.4593 177.1682 202 R 2.5100 8.1857 118.1593 58.9326 29.4457 178.3331 203 A 3.8903 7.5877 119.4869 54.6150 18.3337 178.8414 204 G 3.8187 7.7394 102.1647 44.4681 0.0000 173.7239 205 G 3.5389 7.7060 107.8633 46.2148 0.0000 173.7834 206 W 2.7991 7.0995 113.6632 56.7520 27.0331 174.8271 207 K 4.3057 6.4843 115.1684 54.5507 36.0040 175.6602 208 L 4.6582 8.4080 123.8294 53.3315 42.8765 177.1548 209 S 4.3635 8.5579 121.5984 58.2663 65.0605 174.4213 210 D 4.3658 8.6972 122.2751 58.0715 40.9702 178.7021 211 T 3.8996 7.9496 112.7346 65.1018 67.4016 175.8877 212 A 4.1123 8.4769 123.1300 54.9955 18.3676 179.0577 213 Q 4.3339 8.5882 118.5234 59.7897 28.8775 179.2516 214 K 4.0555 7.8586 117.3934 59.5270 32.1481 178.5403 215 Y 3.9070 7.8926 118.7440 60.9024 38.8456 177.1394 216 Y 4.2135 8.1605 116.1216 59.4148 38.2581 175.2462 217 Y 4.4998 8.2502 121.8592 58.1138 38.7720 175.1266 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 D 8.36 4.45 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.51 4.46 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.03 4.29 0.00 2.05 2.07 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.53 7.81 11 I 7.64 4.65 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 1.02 0.00 0.00 12 Q 8.23 4.15 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 13 S 7.91 4.14 0.00 3.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.41 4.27 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.53 4.61 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.44 3.99 0.00 1.69 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.15 3.99 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 18 T 7.86 3.95 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 19 Q 8.41 3.81 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 20 K 7.99 3.86 0.00 1.81 1.93 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 21 L 7.63 3.87 0.00 1.78 1.74 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.77 3.78 0.00 1.63 1.43 -0.28 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.03 3.92 0.00 1.75 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 24 T 7.99 3.86 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 25 A 7.76 3.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.37 3.84 0.00 1.65 1.55 0.37 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.33 4.28 0.00 1.74 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 28 D 8.57 4.72 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.26 0.00 2.19 2.23 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 30 G 8.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.79 4.65 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.20 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.92 0.00 0.00 33 D 8.33 4.56 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.37 4.16 0.00 1.82 1.91 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.29 3.96 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 36 K 8.30 3.89 0.00 1.91 1.99 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 37 V 7.92 3.65 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 38 S 8.41 4.19 0.00 3.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.09 4.08 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.10 3.96 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 50 V 7.76 3.76 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 51 F 9.26 4.37 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.68 4.21 0.00 4.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.59 4.42 0.00 1.91 2.00 0.00 3.10 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 54 E 7.46 4.51 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 55 A 7.65 3.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.86 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 115 L 7.93 4.52 0.00 1.84 1.64 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.91 4.55 0.00 1.57 1.54 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.02 1.30 7.81 117 V 7.79 4.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 118 N 8.67 4.16 0.00 2.81 2.60 0.00 0.00 7.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.54 4.70 0.00 2.72 2.70 0.00 0.00 5.85 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 P 0.00 3.98 0.00 1.81 0.49 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 *123 V 8.46 4.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 124 A 8.12 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.78 4.42 0.00 1.91 1.85 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.94 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.11 0.00 0.00 127 H 8.10 4.33 0.00 3.25 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 3.13 0.00 1.80 1.08 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.58 0.00 129 V 7.70 3.41 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.65 0.00 0.00 130 Y 8.13 4.30 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.86 4.65 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.34 4.64 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.25 4.04 0.00 1.76 1.67 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.87 4.02 0.00 3.32 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.41 4.17 0.00 2.22 2.52 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.73 0.00 136 L 8.19 4.26 0.00 1.88 1.77 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.42 4.37 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.34 4.23 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.66 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 139 S 9.22 4.68 0.00 3.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.09 4.34 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.79 4.49 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.97 3.90 0.00 1.72 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.72 4.54 0.00 1.99 2.11 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 144 N 7.99 4.83 0.00 3.02 2.81 0.00 0.00 6.49 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.97 3.89 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 146 E 8.17 3.96 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 147 E 8.23 4.06 0.00 2.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 148 V 7.67 3.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 149 D 8.09 4.31 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 7.78 3.93 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.91 3.81 0.00 1.83 1.78 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.75 3.51 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.96 0.00 0.00 153 L 7.74 3.88 0.00 1.82 1.82 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.90 3.91 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 155 L 7.89 4.04 0.00 1.73 2.10 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.23 4.08 0.00 3.11 3.19 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.86 4.18 0.00 1.93 1.96 0.00 3.08 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 158 I 8.04 4.52 1.81 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.04 0.97 0.00 0.00 159 G 8.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 6.86 3.37 0.00 2.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 7.56 3.94 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 162 L 7.74 3.98 0.00 1.48 1.39 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.95 4.30 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 164 K 7.50 4.50 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.63 7.81 *166 N 8.04 4.50 0.00 2.77 2.87 0.00 0.00 7.26 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.35 3.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 168 Q 8.34 4.14 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.22 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 169 L 8.24 4.31 0.00 1.17 0.78 0.50 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *171 D 8.29 4.67 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.58 4.12 0.00 2.47 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 173 L 8.41 3.41 0.00 1.25 1.75 0.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 174 F 8.47 3.82 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.31 4.39 0.00 3.02 2.92 0.00 0.00 6.86 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.84 3.99 0.00 1.82 1.69 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.72 3.85 0.00 1.57 1.48 -0.24 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.20 4.03 0.00 2.06 2.03 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 179 D 8.40 4.52 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 8.32 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 8.08 4.17 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.42 4.23 0.00 1.71 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.71 4.49 0.00 1.76 1.69 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.67 4.15 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 185 E 8.94 4.00 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 186 D 7.80 4.72 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 7.60 4.46 0.00 1.63 1.57 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.10 4.64 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 8.46 4.34 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *191 G 8.24 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.25 3.50 0.00 1.92 2.17 0.00 3.22 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 193 L 8.13 4.15 0.00 1.91 1.72 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.82 3.91 0.00 1.76 1.62 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.73 3.83 0.00 1.07 1.25 0.49 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.09 4.38 0.00 2.38 2.03 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 197 E 7.99 3.44 0.00 1.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 198 I 7.70 3.81 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.91 0.00 0.00 199 L 8.25 4.26 0.00 2.04 1.82 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.42 4.03 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 201 F 8.42 4.37 0.00 3.44 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.19 2.51 0.00 0.67 1.15 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 203 A 7.59 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 G 7.74 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 7.71 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 W 7.10 2.80 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 K 6.48 4.31 0.00 1.63 1.56 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 208 L 8.41 4.66 0.00 1.97 1.79 1.40 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 209 S 8.56 4.36 0.00 4.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 D 8.70 4.37 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 T 7.95 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 212 A 8.48 4.11 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 Q 8.59 4.33 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 214 K 7.86 4.06 0.00 2.05 1.90 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.64 7.81 215 Y 7.89 3.91 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 Y 8.16 4.21 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 8.25 4.50 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.